4H-thiopyran-4-ol;hydrochloride

C5H7ClOS — CID 67075847

IUPAC4H-thiopyran-4-ol;hydrochloride
SMILESCl.OC1C=CSC=C1
InChIInChI=1S/C5H6OS.ClH/c6-5-1-3-7-4-2-5;/h1-6H;1H
InChIKeyDVUVDVRKOGQPBW-UHFFFAOYSA-N
MW150.63 g/mol
LogP1.54
Rot. Bonds

About 4H-thiopyran-4-ol;hydrochloride

4H-thiopyran-4-ol;hydrochloride (PubChem CID 67075847) has the molecular formula C5H7ClOS and a molecular weight of 150.63 g/mol. Its IUPAC name is 4H-thiopyran-4-ol;hydrochloride.

Molecular Properties

Compound Name4H-thiopyran-4-ol;hydrochloride
PubChem CID67075847
Molecular FormulaC5H7ClOS
Molecular Weight150.63 g/mol
Exact Mass149.99
IUPAC Name4H-thiopyran-4-ol;hydrochloride
SMILESCl.OC1C=CSC=C1
InChIInChI=1S/C5H6OS.ClH/c6-5-1-3-7-4-2-5;/h1-6H;1H
InChIKeyDVUVDVRKOGQPBW-UHFFFAOYSA-N
XLogP1.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.63
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4H-thiopyran-4-ol;hydrochloride?
The IUPAC name of 4H-thiopyran-4-ol;hydrochloride (CID 67075847) is 4H-thiopyran-4-ol;hydrochloride.
What is the SMILES notation for 4H-thiopyran-4-ol;hydrochloride?
The canonical SMILES for 4H-thiopyran-4-ol;hydrochloride is Cl.OC1C=CSC=C1.
What is the InChIKey of 4H-thiopyran-4-ol;hydrochloride?
The InChIKey is DVUVDVRKOGQPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6OS.ClH/c6-5-1-3-7-4-2-5;/h1-6H;1H.
What are the key properties of 4H-thiopyran-4-ol;hydrochloride?
4H-thiopyran-4-ol;hydrochloride has a molecular weight of 150.63 g/mol, XLogP of 1.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-thiopyran-4-ol;hydrochloride is sourced from PubChem (CID 67075847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).